Menghitung isomer alkana dan delapan homolog satu gugus fungsi dengan algoritma Kvasnicka-Pospichal

Abstract

Ballard has developed an efficient alkanes structure generator but it resulted redundant structure started from C19H40. At the same time Aringheiri calculated alkanes isomer up to C27H56 without generating any structure codes. Based on his research Kvasnička-Pospichal algorithm is the fastest alkanes enumerating algorithm. This research used Kvasnička-Pospichal algorithm to create structure generator to enumerate alkanes, alkenes, alkynes, alcohols, ethers, aldehydes, ketones, carboxylic acids, and esters which have single functional group. This research succeeded to enumerate alkanes up to C24H50, alkenes up to C21H42, alkynes up to C22H42, alcohols up to C20H42O, ethers up to C20H42O, aldehydes up to C21H42O, ketones up to C21H42O, carboxylic acids up to C21H42O2, and esters up to C20H42O2. This research also succeeds in creating software to yield IUPAC names from SMILES code.